2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol

C17H19NOS — CID 91183372

IUPAC2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol
SMILESNCCC1(c2ccccc2)Sc2ccccc2CC1O
InChIInChI=1S/C17H19NOS/c18-11-10-17(14-7-2-1-3-8-14)16(19)12-13-6-4-5-9-15(13)20-17/h1-9,16,19H,10-12,18H2
InChIKeyWXSLSNHYOHFLSM-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol

2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol (PubChem CID 91183372) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol
PubChem CID91183372
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol
SMILESNCCC1(c2ccccc2)Sc2ccccc2CC1O
InChIInChI=1S/C17H19NOS/c18-11-10-17(14-7-2-1-3-8-14)16(19)12-13-6-4-5-9-15(13)20-17/h1-9,16,19H,10-12,18H2
InChIKeyWXSLSNHYOHFLSM-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-pyrrolidin-1-ium-1-yl-3-(9H-thioxanthen-9-yl)propan-2-ol
CID 78225870
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CID 138490012
3-Amino-1-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)propan-2-ol
CID 138490013
1-(9-Methylthioxanthen-9-yl)ethanol
CID 134892215
2-amino-1-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83911307
2-amino-1-(7-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83911308
2-amino-1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83911309
3-Hydroxy-1-methyl-4-phenyl-4-phenylthio-piperidine
CID 12929368
(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol
CID 15734022
4-amino-3,4-dihydro-2H-thiochromen-3-ol
CID 18624705
10,11-Dihydro-11-hydroxyspiro[dibenz(b,f)thiepin-10,4'-piperidine]
CID 20344037
1-Amino-3-(4-phenylsulfanylphenyl)propan-2-ol
CID 20572787

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol?
The IUPAC name of 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol (CID 91183372) is 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol.
What is the SMILES notation for 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol?
The canonical SMILES for 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol is NCCC1(c2ccccc2)Sc2ccccc2CC1O.
What is the InChIKey of 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol?
The InChIKey is WXSLSNHYOHFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c18-11-10-17(14-7-2-1-3-8-14)16(19)12-13-6-4-5-9-15(13)20-17/h1-9,16,19H,10-12,18H2.
What are the key properties of 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol?
2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol has a molecular weight of 285.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol is sourced from PubChem (CID 91183372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).